Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50141079'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50141079 (6-[4-(1-Aza-bicyclo[2.2.2]oct-2-ylmethoxy)-naphtha...) Show SMILES Nc1cccc(n1)-c1ccc(OCC2CC3CCN2CC3)c2ccccc12 |(11.24,-2.54,;9.89,-1.75,;9.89,-.21,;8.56,.56,;7.23,-.21,;7.23,-1.75,;8.56,-2.52,;5.89,-2.52,;4.57,-1.75,;3.24,-2.52,;3.24,-4.06,;1.89,-4.85,;.57,-4.08,;-.76,-4.86,;-2.09,-4.08,;-3.43,-4.85,;-1.9,-4.84,;-2.3,-6.31,;-.76,-6.4,;-2.11,-7.17,;-3.44,-6.4,;4.57,-4.82,;4.57,-6.37,;5.89,-7.14,;7.23,-6.37,;7.23,-4.82,;5.89,-4.06,)| Show InChI InChI=1S/C23H25N3O/c24-23-7-3-6-21(25-23)19-8-9-22(20-5-2-1-4-18(19)20)27-15-17-14-16-10-12-26(17)13-11-16/h1-9,16-17H,10-15H2,(H2,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human inducible nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
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